2-브로모-5-티아졸카르복실산

2-Bromothiazole-5-carboxylic acid

HCID 2763210

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 54045-76-0
표준 SMILES: O=C(O)c1cnc(Br)s1
InChIKey: BESGTWHUMYHYEQ-UHFFFAOYSA-N
분자식: C4H2BrNO2S
평균 분자량: 208.04 g/mol
단동위원소 질량: 206.8989614

이름 및 식별자

우선 이름: 2-Bromothiazole-5-carboxylic acid
IUPAC: 2-bromo-1,3-thiazole-5-carboxylic acid
현지명: 2-브로모-5-티아졸카르복실산
영어명: 2-Bromo-5-thiazolecarboxylic acid
분자식: C4H2BrNO2S
분자량: 208.03

이름 및 동의어

2-Bromothiazole-5-carboxylic acidRefChem:467328626-804-754045-76-02-Bromo-5-thiazolecarboxylic acid2-bromo-1,3-thiazole-5-carboxylic Acid5-Thiazolecarboxylic acid, 2-bromo-MFCD041157302-Bromo-5-thiazolecarboxylicacid2-bromo-thiazole-5-carboxylic acidDTXSID80376811CS-D0331

이름 더 보기

2-브로모-5-티아졸카르복실산RARECHEM AL BE 14352-BROMOTHAIZOLE-5-CARBOXYLIC ACID2-BROMO-5-THLAZOLECARBOXYLIC ACID5-Thiazolecarboxylicacid, 2-broMo-2-Bromothiazole-5-carboxylicacid,97%2-Bromothiazole-5-carboxylic Acid >2-Bromothiazole-5-carboxylic acid 97%

BBL010885CL2509STK651471AKOS005257210AC-3604FS-1427HY-33287EN300-102252

데이터베이스 식별자

CAS: 54045-76-0
PubChem CID: 2763210
DTXSID: DTXSID80376811
EC Number: 626-804-7
Nikkaji: J2.978.027G

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 78.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 132

물리화학적 성질

녹는점: 182 °C · 182 °C (dec.)
끓는 점: 350 · 350.0±15.0 °C(Predicted)
밀도: 2.062 · 2.062±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): 2.52 · 2.52±0.10(Predicted)
물리적 상태: 결정성 분말
색상: 흰색에서 황백색까지
InChI: InChI=1S/C4H2BrNO2S/c5-4-6-1-2(9-4)3(7)8/h1H,(H,7,8)
InChIKey: BESGTWHUMYHYEQ-UHFFFAOYSA-N
SMILES: S1C(C(O)=O)=CN=C1Br

화학적 성질

White to brown solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (14.9%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.